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High-throughput screening of chemicals as functional substitutes using structure-based classification models

Identifying chemicals that provide a specific function within a product, yet have minimal impact on the human body or environment, is the goal of most formulation chemists and engineers practicing green chemistry. We present a methodology to identify potential chemical functional substitutes from la...

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Detalhes bibliográficos
Publicado no:Green Chem
Main Authors: Phillips, Katherine A., Wambaugh, John F., Grulke, Christopher M., Dionisio, Kathie L., Isaacs, Kristin K.
Formato: Artigo
Idioma:Inglês
Publicado em: 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6260937/
https://ncbi.nlm.nih.gov/pubmed/30505234
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/C6GC02744J
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